N,N-Dimethylformamide dineopentyl acetal

Base Information

• Chemical Name: N,N-Dimethylformamide dineopentyl acetal
• CAS No.: 4909-78-8
• Molecular Formula: C13H29 N O2
• Molecular Weight: 231.379
• Hs Code.: 29110000
• European Community (EC) Number: 225-536-4
• DSSTox Substance ID: DTXSID30197674
• Nikkaji Number: J141.080F
• Wikidata: Q72470502
• Mol file: 4909-78-8.mol

Synonyms:N,N-dimethylformamide dineopentyl acetal;N,N-DMFDNPA

Chemical Property of N,N-Dimethylformamide dineopentyl acetal

Chemical Property:

• Appearance/Colour: Colorless to slight yellow liquid
• Vapor Pressure: 0.222mmHg at 25°C
• Melting Point: 253.5℃
• Refractive Index: n20/D 1.412(lit.)
• Boiling Point: 207.7°Cat760mmHg
• PKA: 5.24±0.50(Predicted)
• Flash Point: 51.7°C
• PSA: 21.70000
• Density: 0.877g/cm³
• LogP: 2.95700
• Storage Temp.: Store at 0-5°C
• Sensitive.: Moisture Sensitive
• Water Solubility.: Hydrolyzes with water.
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 231.219829168
• Heavy Atom Count: 16
• Complexity: 171

Purity/Quality:

97% ^*data from raw suppliers

N,N-Dimethylformamide dineopentyl acetal ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)COC(N(C)C)OCC(C)(C)C
• Uses: N,N-Dimethylformamide dineopentyl acetal helps in the lactonization of ω-hydroxyacids, giving lactones of up to 16-membered rings. It can be used to convert primary alcohols to alkylating agents for use in the alkylation of thiols. It is used in the esterification of Nα-9-fluorenylmethyloxycarbonylamino acids. It was used in the synthesis of 1,3-dialkyl, benzyl and cyclohexyl barbiturate derivatives. It was used as reagent during the synthesis of L-serine and L-cystine stereospecifically labeled with deuterium at the β-position.

Technology Process of N,N-Dimethylformamide dineopentyl acetal

There total 3 articles about N,N-Dimethylformamide dineopentyl acetal which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

2,2-dimethyl-propanol-1 (75-84-3) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → N,N-dimethylformamide dineopentyl acetal (4909-78-8)

Guidance literature:

Multistep reaction; (i) SOCl₂, (ii) /BRN= 1730984/, Na, CHCl₃;

DOI:10.1002/jps.2600600116

Reference yield:

2,2-dimethyl-propanol-1 (75-84-3) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → N,N-dimethylformamide dineopentyl acetal (4909-78-8)

Guidance literature:

DOI:10.1002/hlca.19650480734

Reference yield:

→ N,N-dimethylformamide dineopentyl acetal (4909-78-8)

Guidance literature:

1,1-Dimethoxy-trimethylamin, Neopentanol, Benzol, Erhitzen;

upstream raw materials:

2,2-dimethyl-propanol-1

N,N-dimethyl-formamide dimethyl acetal

N,N-dimethyl-formamide

Downstream raw materials:

neopentyl benzoate

3-Cyclohexylidene-N,N-dimethyl-butyramide

3-Phenyl-but-3-enoic acid dimethylamide

di(2,2-dimethylpropoxy)-4-methoxyphenylphosphonodithioate